Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 10539
- Core Entity Id
- 14876
- Source Entity Count
- 1
- Preferred Name
- Alumen
- Name En
- Pubchem Id
- 104727
- Smiles Canonical
- [Al+3]
- Molecular Formula
- Al+3
- Molecular Weight
- 26.9820
- Inchikey
- REDXJYDRNCIFBQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/Al/q+3
- Isomeric Smiles
- [Al+3]
- Cas Id
- Ob Score
- Mol Logp
- -0.3808
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.3170
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Alumen
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Alumen
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
ALUMINUM ION
Role
alias
Source
itcmdb_public
Preferred
No
Name
ALUMINUM ION
Role
alias
Source
HERB_v2
Preferred
No
Name
Aluminium, ion (Al3+)
Role
alias
Source
HERB_v2
Preferred
No
Name
Aluminium, ion (Al3+)
Role
alias
Source
itcmdb_public
Preferred
No
Name
Aluminum(III)
Role
alias
Source
HERB_v2
Preferred
No
Name
Aluminum(III)
Role
alias
Source
itcmdb_public
Preferred
No
Name
Aluminum, ion (Al3+)
Role
alias
Source
HERB_v2
Preferred
No
Name
Aluminum, ion (Al3+)
Role
alias
Source
itcmdb_public
Preferred
No
Name
Alumunum ion
Role
alias
Source
HERB_v2
Preferred
No
Name
Alumunum ion
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-3XHB1D032B
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-3XHB1D032B
Role
alias
Source
itcmdb_public
Preferred
No
Name
aluminum cation
Role
alias
Source
HERB_v2
Preferred
No
Name
aluminum cation
Role
alias
Source
itcmdb_public
Preferred
No
Name
aluminum(3+)
Role
alias
Source
HERB_v2
Preferred
No
Name
aluminum(3+)
Role
alias
Source
itcmdb_public
Preferred
No
Name
aluminum(iii) ion
Role
alias
Source
HERB_v2
Preferred
No
Name
aluminum(iii) ion
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
ALUMINUM IONAluminium, ion (Al3+)Aluminum(III)Aluminum, ion (Al3+)Alumunum ionUNII-3XHB1D032Baluminum cationaluminum(3+)aluminum(iii) ion
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN015790
Tcmid
24909
Pub Chem
104727
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/Al/q+3
Mol Wt
26.982
Mol Log P
-0.3808
In Ch Ikey
REDXJYDRNCIFBQ-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.317
Num Hacceptors
0
Isomeric Smiles
[Al+3]
Canonical Smiles
[Al+3]
Herb Alias Names
aluminum cationALUMINUM IONaluminum(3+)aluminum(iii) ionAluminium, ion (Al3+)Alumunum ionAluminum (ion)Aluminum(III)Aluminum, ion (Al3+)UNII-3XHB1D032B
Molecular Formula
Al+3
Num Rotatable Bonds
0